autograd
dask
distributed
h5py
fabric
jax
jinja2
matplotlib
natsort
numba
numpy
networkx
optuna
pandas
psutil
pyyaml
rmsd
scipy
sympy
scikit-learn

[doc]
sphinx<=8.2.0
sphinx-rtd-theme
sphinx_autodoc_typehints

[full]
pyscf
pytest
pytest-cov
ase>=3.23.0
qcengine
ursina
trexio

[test]
pyscf
pytest
pytest-cov
ase>=3.23.0
qcengine
